N-(4-{5-[(2,3-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(4-{5-[(2,3-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-(4-{5-[(2,3-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | D041-0231 |
| Compound Name: | N-(4-{5-[(2,3-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 448.44 |
| Molecular Formula: | C22 H20 N6 O5 |
| Smiles: | Cc1cccc(c1C)OCc1nc(c2ccc(cc2)NC(Cn2cc(cn2)[N+]([O-])=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.2376 |
| logD: | 4.2376 |
| logSw: | -4.3442 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.932 |
| InChI Key: | FWOVYPRYYMQNQP-UHFFFAOYSA-N |